(E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide

C16H24N2O3S — CID 95312212

IUPAC(E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide
SMILESCOCCN1CCC[C@@H](NS(=O)(=O)/C=C/c2ccccc2)C1
InChIInChI=1S/C16H24N2O3S/c1-21-12-11-18-10-5-8-16(14-18)17-22(19,20)13-9-15-6-3-2-4-7-15/h2-4,6-7,9,13,16-17H,5,8,10-12,14H2,1H3/b13-9+/t16-/m1/s1
InChIKeyDHOJKQYMXJPUSU-LRFDDAOPSA-N
MW324.45 g/mol
LogP1.69
Rot. Bonds7

About (E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide

(E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide (PubChem CID 95312212) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is (E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide
PubChem CID95312212
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC Name(E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide
SMILESCOCCN1CCC[C@@H](NS(=O)(=O)/C=C/c2ccccc2)C1
InChIInChI=1S/C16H24N2O3S/c1-21-12-11-18-10-5-8-16(14-18)17-22(19,20)13-9-15-6-3-2-4-7-15/h2-4,6-7,9,13,16-17H,5,8,10-12,14H2,1H3/b13-9+/t16-/m1/s1
InChIKeyDHOJKQYMXJPUSU-LRFDDAOPSA-N
XLogP1.69
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide (CID 95312212) is (E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide is COCCN1CCC[C@@H](NS(=O)(=O)/C=C/c2ccccc2)C1.
What is the InChIKey of (E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide?
The InChIKey is DHOJKQYMXJPUSU-LRFDDAOPSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-21-12-11-18-10-5-8-16(14-18)17-22(19,20)13-9-15-6-3-2-4-7-15/h2-4,6-7,9,13,16-17H,5,8,10-12,14H2,1H3/b13-9+/t16-/m1/s1.
What are the key properties of (E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide?
(E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide has a molecular weight of 324.45 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3R)-1-(2-methoxyethyl)piperidin-3-yl]-2-phenylethenesulfonamide is sourced from PubChem (CID 95312212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).